MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1-chloro-3-nitrobenzene

	Properties	Image
MNX_ID	MNXM32746
reference	chebi:82420
formula	C₆H₄ClNO₂
global charge	0
mol weight	157.556
InChIKey	KMAQZIILEGKYQZ-UHFFFAOYSA-N
InChI	InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
SMILES	O=[N+]([O-])C1=CC=CC(Cl)=C1

MNX internals

InChI (mnx)	InChI=1/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
SMILES (mnx)	[CH:1]1=[CH:2][C:5]([Cl:7])=[CH:4][C:6]([N+:8]([O-:9])=[O:10])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:82420 chebi:82420 KMAQZIILEGKYQZ-UHFFFAOYSA-N	1-chloro-3-nitrobenzene 3-chloronitrobenzene 3-nitrochlorobenzene chloro-m-nitrobenzene m-chloronitrobenzene m-nitrochlorobenzene metachloronitrobenzene
kegg.compound:C19364 keggC:C19364 KMAQZIILEGKYQZ-UHFFFAOYSA-N	1-Chloro-3-nitrobenzene
hmdb:HMDB0243845 KMAQZIILEGKYQZ-UHFFFAOYSA-N	1-Chloro-3-nitrobenzene 1-Chloro-2-nitrobenzene 1-Chloronitrobenzene 1-chloro-3-nitrobenzene 2-Chloronitrobenzene 3-Chloronitrobenzene 3-Nitrochlorobenzene 3-chloro-nitrobenzene 5-Chloronitrobenzene Chloro-m-nitrobenzene Chloronitrobenzene Metachloronitrobenzene O-Chloronitrobenzene O-Nitrochlorobenzene ONCB Ortho-chloronitrobenzene Terrafun m-Chloronitrobenzene m-Nitrochlorobenzene
seed.compound:cpd20620 seedM:cpd20620 KMAQZIILEGKYQZ-UHFFFAOYSA-N	1-Chloro-3-nitrobenzene 1-chloro-3-nitrobenzene 3-chloronitrobenzene
metacyc.compound:CPD-18107 metacycM:CPD-18107 KMAQZIILEGKYQZ-UHFFFAOYSA-N	1-chloro-3-nitrobenzene 3-chloronitrobenzene
keggC:M_C19364 seedM:M_cpd20620	secondary/obsolete/fantasy identifier